3-(4-Chlorophenyl)-5-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazole CAS 477332-69-7
| CAS No. | 477332-69-7 |
| Molecular Formula | C22H16Cl3N3S |
| Molecular Weight | 460.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 460.81 g/mol gives 3-(4-Chlorophenyl)-5-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(4-Chlorophenyl)-5-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazole (CAS 477332-69-7), molecular formula C22H16Cl3N3S and molecular weight 460.81 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(4-Chlorophenyl)-5-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazole (C22H16Cl3N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 460.81 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures 3-(4-Chlorophenyl)-5-((3,4-dichlorobenzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazole under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C22H16Cl3N3S |
| Molecular Weight | 460.81 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 3-(4-Chlorophenyl)-5-((2,4-dichlorobenzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazole (CAS 443740-26-9)
- 3-(4-Chlorophenyl)-5-((2,6-dichlorobenzyl)thio)-4-(p-tolyl)-4H-1,2,4-triazole (CAS 476485-86-6)
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- Ethyl 4-(4-chlorophenyl)-2-(2-(4-nitrophenoxy)acetamido)thiophene-3-carboxylate (CAS 374598-53-5)
Recommended Standards
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